HRID195168

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID31275

1,4-Dioxane

C4H8O2

结构：COc1ccc2c(c1)cc(B(O)O)n2C(=O)OC(C)(C)C

HCID2794716

[1-(tert-Butoxycarbonyl)-5-methoxy-1H-indol-2-yl]boronic acid

C14H18BNO5

结构：C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(Cl)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12

HCID86664788

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(c1)cc(-c1cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(-c4ccc(-c5ccccc5)nc4)c3n1)n2C(=O)OC(C)(C)C

HCID66738101

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c2a62eae71d04d5585de1006981c8b99
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9]([B:19]([OH:20])[OH:21])[cH:10][c:11]2[cH:12][c:13]([O:17][CH3:18])[cH:14][cH:15][c:16]12.[Cl:30][c:31]1[n:32][c:33]2[n:34]([c:35]([N:37]([CH2:38][O:39][CH2:40][CH2:41][Si:42]([CH3:43])([CH3:44])[CH3:45])[CH2:46][O:47][CH2:48][CH2:49][Si:50]([CH3:51])([CH3:52])[CH3:53])[cH:36]1)[n:54][cH:55][c:56]2-[c:57]1[cH:58][n:59][c:60](-[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[cH:61][cH:62]1.[K+:27].[K+:28].[K+:29].[O:69]1[CH2:70][CH2:71][O:72][CH2:73][CH2:74]1.[OH2:75].[P:22]([O-:23])([O-:24])([O-:25])=[O:26]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9](-[c:31]2[n:32][c:33]3[n:34]([c:35]([N:37]([CH2:38][O:39][CH2:40][CH2:41][Si:42]([CH3:43])([CH3:44])[CH3:45])[CH2:46][O:47][CH2:48][CH2:49][Si:50]([CH3:51])([CH3:52])[CH3:53])[cH:36]2)[n:54][cH:55][c:56]3-[c:57]2[cH:58][n:59][c:60](-[c:63]3[cH:64][cH:65][cH:66][cH:67][cH:68]3)[cH:61][cH:62]2)[cH:10][c:11]2[cH:12][c:13]([O:17][CH3:18])[cH:14][cH:15][c:16]12